SCHEMBL2840787

SCHEMBL2840787

Cc1cc2c(o1)CNCCC2Oc1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.38
SLC6A3 Q01959 5/20 0.38
SLC6A4 P31645 4/20 0.38
HTR6 P50406 2/20 0.38
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NISCH Q9Y2I1 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
HTR2C P28335 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL2837096 0.99 SLC6A2 (0.37) SLC6A2SLC6A3SLC6A4HTR6MEN1
Hydrochloric Acid SCHEMBL2844088 0.85 HTR2C (0.32) SLC6A2SLC6A3SLC6A4HTR2C
SCHEMBL10078500 0.84 PKM (0.31) SLC6A4
Hydrochloric Acid SCHEMBL2841127 0.84 PKM (0.30) SLC6A4
Hydrochloric Acid SCHEMBL2868875 0.83 HTR2C (0.34) SLC6A2SLC6A3SLC6A4HTR2C
SCHEMBL10078928 0.82 SLC6A4 (0.40) SLC6A2SLC6A3SLC6A4HTR6
Hydrochloric Acid SCHEMBL2835872 0.81 IMPDH2 (0.39) HTR6
Hydrochloric Acid SCHEMBL2865940 0.81 SLC6A4 (0.39) SLC6A2SLC6A3SLC6A4HTR6
Hydrochloric Acid SCHEMBL2840968 0.79 HTR6 (0.31) SLC6A4HTR6
SCHEMBL2835759 0.79 MEN1 (0.37) SLC6A2SLC6A3SLC6A4HTR6MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US claimed
US-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US disclosed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US disclosed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048537-A1 HETEROARYL DERIVATIVES OPRD1, OPRM1, OPRK1 SLC6A2 196/4885SLC6A3 118/4885SLC6A4 185/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.